Search Results - "Khamitov, Edward M"

Reaction of Picolinamides with Ketones Producing a New Type of Heterocyclic Salts with an Imidazolidin-4-One Ring by Kramarova, Eugenia P, Lyakhmun, Dmitry N, Tarasenko, Dmitry V, Borisevich, Sophia S, Khamitov, Edward M, Yusupova, Alfia R, Korlyukov, Alexander A, Romanenko, Alexander R, Shmigol, Tatiana A, Bylikin, Sergey Yu, Baukov, Yuri I, Negrebetsky, Vadim V

“…Reactions of picolinamides with 1,3-propanesultone in methanol followed by the treatment with ketones led to a series of previously unknown chemical…”
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Phage Display Revealed the Complex Structure of the Epitope of the Monoclonal Antibody 10H10 by Shanshin, Daniil V, Borisevich, Sophia S, Shaprova, Olga N, Nesmeyanova, Valentina S, Bondar, Alexander A, Porozov, Yuri B, Khamitov, Edward M, Kolosova, Evgeniia A, Shelemba, Arseniya A, Ushkalenko, Nikita D, Protopopova, Elena V, Sergeev, Artemiy A, Loktev, Valery B, Shcherbakov, Dmitriy N

“…The annual number of reported human cases of flavivirus infections continues to increase. Measures taken by local healthcare systems and international…”
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Structure-Based Design, Synthesis, and Biological Evaluation of the Cage-Amide Derived Orthopox Virus Replication Inhibitors by Mozhaitsev, Evgenii S, Suslov, Evgeniy V, Rastrepaeva, Daria A, Yarovaya, Olga I, Borisevich, Sophia S, Khamitov, Edward M, Kolybalov, Dmitry S, Arkhipov, Sergey G, Bormotov, Nikolai I, Shishkina, Larisa N, Serova, Olga A, Brunilin, Roman V, Vernigora, Andrey A, Nawrozkij, Maxim B, Agafonov, Alexander P, Maksyutov, Rinat A, Volcho, Konstantin P, Salakhutdinov, Nariman F

“…Despite the fact that the variola virus is considered eradicated, the search for new small molecules with activity against orthopoxviruses remains an important…”
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Borneol Ester Derivatives as Entry Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses by Yarovaya, Olga I, Shcherbakov, Dmitriy N, Borisevich, Sophia S, Sokolova, Anastasiya S, Gureev, Maxim A, Khamitov, Edward M, Rudometova, Nadezda B, Zybkina, Anastasiya V, Mordvinova, Ekaterina D, Zaykovskaya, Anna V, Rogachev, Artem D, Pyankov, Oleg V, Maksyutov, Rinat A, Salakhutdinov, Nariman F

“…In the present work we studied the antiviral activity of the home library of monoterpenoid derivatives using the pseudoviral systems of our development, which…”
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Pyridine Carboxamides Based on Sulfobetaines: Design, Reactivity, and Biological Activity by Kramarova, Eugene P, Borisevich, Sophia S, Khamitov, Edward M, Korlyukov, Alexander A, Dorovatovskii, Pavel V, Shagina, Anastasia D, Mineev, Konstantin S, Tarasenko, Dmitri V, Novikov, Roman A, Lagunin, Alexey A, Boldyrev, Ivan, Ezdoglian, Aiarpi A, Karpechenko, Natalia Yu, Shmigol, Tatiana A, Baukov, Yuri I, Negrebetsky, Vadim V

“…The synthesis of the products of the 1,3-propanesultone ring opening during its interaction with amides of pyridinecarboxylic acids has been carried out. The…”
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Discovery of N-Containing (-)-Borneol Esters as Respiratory Syncytial Virus Fusion Inhibitors by Sokolova, Anastasiya S, Yarovaya, Olga I, Kuzminykh, Lana V, Shtro, Anna A, Klabukov, Artem M, Galochkina, Anastasia V, Nikolaeva, Yulia V, Petukhova, Galina D, Borisevich, Sophia S, Khamitov, Edward M, Salakhutdinov, Nariman F

“…Respiratory syncytial virus (RSV) causes acute respiratory infections, thus, posing a serious threat to the health of infants, children, and elderly people. In…”
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Simulation of Molecular Dynamics of SARS-CoV-2 S-Protein in the Presence of Multiple Arbidol Molecules: Interactions and Binding Mode Insights by Borisevich, Sophia S, Khamitov, Edward M, Gureev, Maxim A, Yarovaya, Olga I, Rudometova, Nadezhda B, Zybkina, Anastasiya V, Mordvinova, Ekaterina D, Shcherbakov, Dmitriy N, Maksyutov, Rinat A, Salakhutdinov, Nariman F

“…In this work, we evaluated the antiviral activity of Arbidol (Umifenovir) against SARS-CoV-2 using a pseudoviral system with the glycoprotein S of the…”
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Determining the Oxidation Stability of Electrolytes for Lithium-Ion Batteries Using Quantum Chemistry and Molecular Dynamics by Evshchik, Elizaveta Y., Borisevich, Sophia S., Ilyina, Margarita G., Khamitov, Edward M., Chernyak, Alexander V., Pugacheva, Tatiana A., Kolmakov, Valery G., Bushkova, Olga V., Dobrovolsky, Yuri A.

“…Determining the oxidation potential (OP) of lithium-ion battery (LIB) electrolytes using theoretical methods will significantly speed up and simplify the…”
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QC and MD Modelling for Predicting the Electrochemical Stability Window of Electrolytes: New Estimating Algorithm by Dobrovolsky, Yuri A., Ilyina, Margarita G., Evshchik, Elizaveta Y., Khamitov, Edward M., Chernyak, Alexander V., Shikhovtseva, Anna V., Melnikova, Tatiana I., Bushkova, Olga V., Borisevich, Sophia S.

“…The electrolyte is an important component of lithium-ion batteries, especially when it comes to cycling high-voltage cathode materials. In this paper, we…”
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A Voltammetric Sensory System for Recognition of Propranolol Enantiomers Based on Glassy Carbon Electrodes Modified by Polyarylenephthalide Composites of Melamine and Cyanuric Acid by Zilberg, Rufina A., Sidelnikov, Artem V., Maistrenko, Valery N., Yarkaeva, Yulia A., Khamitov, Edward M., Kornilov, Viktor M., Maksutova, Elza I.

“…An enantioselective voltammetric sensory system based on glassy carbon electrodes modified by polyarylenephthalide composites of melamine and cyanuric acid…”
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Theoretical Models for Quantitative Description of the Acid–Base Equilibria of the 5,6-Substituted Uracils by Ilyina, Margarita G, Khamitov, Edward M, Ivanov, Sergey P, Mustafin, Akhat G, Khursan, Sergey L

“…The acidities of 18 5,6-substituted uracils have been numerically estimated as pK a values in terms of three theoretical models. The first scheme includes the…”
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A molecular dynamics simulation of the chemisorption of the optical isomers of propranolol on the graphitic electrode modified with melamine, cyanuric, and isocyanuric acids by Ilyina, Margarita G., Khamitov, Edward M., Maistrenko, Valery N.

“…To demonstrate the nature of the interaction of optical isomers of propranolol with the surface of the graphitic electrode modified with melamine, uracil,…”
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Controlled stabilization of anionic forms of the uracil derivatives: A DFT study by Ilyina, Margarita G., Khamitov, Edward M., Mustafin, Akhat G., Khursan, S.L.

“…[Display omitted] •Relative stabilities of the N1/N3/О5/О6 anions of 42 substituted uracils in gas phase and aqueous solutions have been theoretically…”
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A theoretical quantitative estimation of acidity of uracil and its derivatives through the pKa values by Ilyina, Margarita G., Khamitov, Edward M., Mustafin, Akhat G., Khursan, Sergey L.

“…In this paper, we propose a computational scheme for the theoretical estimation of gas‐phase acidity of uracil and its derivatives. The calculation of the…”
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Light gasoil of catalytic cracking: A quantitative description of the physical properties by joint use of chromato‐mass‐spectrometry and molecular dynamics by Ilyina, Margarita G., Khamitov, Edward M., Galiakhmetov, Rail N., Mustafin, Ildar A., Akhmetov, Arslan F., Shayakhmetova, Regina Kh, Mustafin, Akhat G.

“…In the present work, the composition and relative density of light gasoil of catalytic cracking (LGCC) were studied using chromato‐mass‐spectrometry and its…”
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Molecular Dynamics Simulation and Density Functional Theory Study of Chemisorption of Propranolol Optical Isomers on a Uracil‐modified Carbon Paste Electrode by Khamitov, Edward M., Shayakhmetova, Regina Kh, Sidelnikov, Artem V., Maistrenko, Valery N.

“…To reveal the nature of the interaction of the optical isomers of propranolol with the surface of carbon paste electrodes modified by uracil, we performed a…”
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Cracking of n‐octadecane: A molecular dynamics simulation by Ilyina, Margarita G., Shayakhmetova, Regina K., Khamitov, Edward M., Galiakhmetov, Rail N., Mustafin, Ildar A., Mustafin, Akhat G.

“…Despite the extensive research studies, the understanding of the fundamental mechanisms of chemical transformations at the cracking of hydrocarbons remains…”
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Enhancing 4-propylheptane dissociation with nickel nanocluster based on molecular dynamics simulations by Ilyina, Margarita G., Khamitov, Edward M., Galiakhmetov, Rail N., Mustafin, Ildar A., Mustafin, Akhat G.

“…[Display omitted] •Equilibrium structural parameters of nickel nanocluster have been calculated by the DFT method based on the PBEH1PBE hybrid functional and…”
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Specific Intermolecular Interactions in the Supramolecular Structure of 5‐Hydroxy‐6‐Methyluracil: A DFT Study of the Hydrogen‐bonded Dimers by Shayakhmetova, Regina Kh, Khamitov, Edward M., Mustafin, Akhat G., Ivanov, Sergey P., Khursan, Sergey L.

“…Studying the self‐assembly of uracil derivatives has great importance for biochemistry and nanotechnology. For example, modification of the sorbent surfaces by…”
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Distributed polarizability of fullerene [2+1]-adducts C60Xn (n = 1 and 2) with symmetric addends X  = CH2 and O: A fresh view on the effect of positional isomerism by Tukhbatullina, Alina A., Khamitov, Edward M., Sabirov, Denis Sh

“…[Display omitted] •Mean polarizabilities of regioisomeric fullerene adducts are almost equal.•Molecular polarizability of fullerene adducts is divided into…”
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